Chemical Properties of Cinnamic aldehyde, PFBO # 1

InChI

InChI=1S/C16H10F5NO/c17-12-11(13(18)15(20)16(21)14(12)19)9-23-22-8-4-7-10-5-2-1-3-6-10/h1-8H,9H2/b7-4+,22-8?

InChI Key

LIDMFHBBTNZNCB-YEQYMXEUSA-N

Formula

C16H10F5NO

SMILES

Fc1c(F)c(F)c(CON=CC=Cc2ccccc2)c(F)c1F

Molecular Weight¹

327.25

• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-871.19	kJ/mol	Joback Calculated Property
ΔvapH°	60.67	kJ/mol	Joback Calculated Property
log10WS	-6.14		Crippen Calculated Property
logPoct/wat	4.598		Crippen Calculated Property
McVol	204.880	ml/mol	McGowan Calculated Property
Pc	1649.77	kPa	Joback Calculated Property
Inp	1974.00		NIST
I	[2735.00; 2735.00]
I	2735.00		NIST
I	2735.00		NIST
Tboil	743.35	K	Joback Calculated Property
Tc	950.32	K	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cinnamic aldehyde, PFBO # 1.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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